| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ESRF BEAMLINE ID14-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2006-11-17 |
Detector _diffrn_detector.type | ADSC QUANTUM 210 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9330 |
| Software | |
Data collection _software.classification | MxCuBE |
Data reduction _software.classification | MOSFLM (A.G.W. Leslie; andrew@mrc-lmb.cam.ac.uk) |
Data scaling _software.classification | SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk) |
Phasing #1 _software.classification | SHARP (de La Fortelle; sharp-develop@globalphasing.com) |
Phasing #2 _software.classification | SOLOMON (Abrahams J. P.; ccp4@dl.ac.uk) |
Refinement _software.classification | REFMAC (refmac_5.2.0019; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 28.655 48.217 54.406 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.282301.283101.277000.93300 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 15.000 | 1.920 |
High resolution limit [Å] _reflns_shell.d_res_high | - | 1.820 |
| - | - | |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.073 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 10412 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 31.70 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.6 | 100.0 |
Multiplicity _reflns.pdbx_redundancy | 13.7 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2RKN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2007-10-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 9.9 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1890 / 0.2520 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |